N-(3,4-dichlorophenyl)-4-[1-(2-methylpentanoyl)piperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-[1-(2-methylpentanoyl)piperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-[1-(2-methylpentanoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-[1-(2-methyl-1-oxopentyl)-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-[1-(2-methylpentanoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-[1-(2-methylpentanoyl)-4-piperidyl]piperidine-1-carbothioamide Formula: C23H33Cl2N3OS MolecularWeight: 470.49862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC(C)C(=O)N1CCC(CC1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H33Cl2N3OS/c1-3-4-16(2)22(29)27-11-7-17(8-12-27)18-9-13-28(14-10-18)23(30)26-19-5-6-20(24)21(25)15-19/h5-6,15-18H,3-4,7-14H2,1-2H3,(H,26,30)